UCSF

ZINC45644706

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.39 7.57 -11.4 2 9 0 106 465.506 11
Mid Mid (pH 6-8) 3.39 9.96 -40.95 3 9 1 107 466.514 11

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )